CID 45051020

N-(4-butylphenyl)-3-(5-(2-chlorophenyl)-2-furyl)-2-propenamide

Structural Information

Molecular Formula
C23H22ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+
InChIKey
CBUFOWKHGMNFJN-JQIJEIRASA-N
Compound name
(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1339 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14118 194.3
[M+Na]+ 402.12312 209.2
[M+NH4]+ 397.16772 202.2
[M+K]+ 418.09706 201.1
[M-H]- 378.12662 202.1
[M+Na-2H]- 400.10857 202.8
[M]+ 379.13335 199.1
[M]- 379.13445 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.